1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one

C25H26N4O2 — CID 11983543

IUPAC1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-c4cccc(N5CCNC5=O)c4)cc(C)nc32)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-16-13-20(31-3)7-8-23(16)29-11-9-21-22(14-17(2)27-24(21)29)18-5-4-6-19(15-18)28-12-10-26-25(28)30/h4-8,13-15H,9-12H2,1-3H3,(H,26,30)
InChIKeyPWAFRYZALYQGHJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.60
Rot. Bonds4

About 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one

1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one (PubChem CID 11983543) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one
PubChem CID11983543
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-c4cccc(N5CCNC5=O)c4)cc(C)nc32)c(C)c1
InChIInChI=1S/C25H26N4O2/c1-16-13-20(31-3)7-8-23(16)29-11-9-21-22(14-17(2)27-24(21)29)18-5-4-6-19(15-18)28-12-10-26-25(28)30/h4-8,13-15H,9-12H2,1-3H3,(H,26,30)
InChIKeyPWAFRYZALYQGHJ-UHFFFAOYSA-N
XLogP4.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one (CID 11983543) is 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one is COc1ccc(N2CCc3c(-c4cccc(N5CCNC5=O)c4)cc(C)nc32)c(C)c1.
What is the InChIKey of 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is PWAFRYZALYQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-13-20(31-3)7-8-23(16)29-11-9-21-22(14-17(2)27-24(21)29)18-5-4-6-19(15-18)28-12-10-26-25(28)30/h4-8,13-15H,9-12H2,1-3H3,(H,26,30).
What are the key properties of 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one?
1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 414.51 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 11983543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).